SCHEMBL12371321

SCHEMBL12371321

CC(C)CCCC(=O)N(CC1CCNCC1)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CHRM1 P11229 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CHEK1 O14757 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3812854 0.79 CHRM1 (0.39) CHRM1USP30KDM4ECHEK1
SCHEMBL2157718 0.77 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2CHRM1SLC6A3
SCHEMBL3122605 0.76 MAPT (0.47) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL13093722 0.75 SLC6A2 (0.39) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL2157539 0.74 CHRM1 (0.43) SLC6A2SLC6A4CHRM1SLC6A3
SCHEMBL12372020 0.74 KDM4E (0.40) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2455266 0.73 KDM4E (0.41) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL14049088 0.72 CHEK1 (0.42) CHEK1
SCHEMBL3812086 0.72 MAPT (0.46) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL3814741 0.71 ALDH1A1 (0.39) KDM4EMEN1NPC1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 — — US disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS SLC6A2 1520/4885SLC6A4 1918/4885KCNH2 2669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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